vibunazole
TL;DR: vibunazole (CAS 84877-70-3) is a chemical compound with molecular formula C15H20ClN3O2 and molecular weight 309.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol
Also Known As: vibunazole, Bay N 7133, Vibunazole, (+)-, Vibunazole, (-)-, Bay-n-7133
| Molecular Formula | C15H20ClN3O2 |
|---|---|
| Molecular Weight | 309.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.1244 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 84877-70-3 |
|---|---|
| SMILES | CC(C)(C)C(CN1C=NC=N1)(COC2=CC=C(C=C2)Cl)O |
| InChIKey | OCQPZTCGZAFWSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
vibunazole (CAS 84877-70-3), with molecular formula C15H20ClN3O2 and molecular weight 309.12 g/mol. IUPAC: 1-(4-chlorophenoxy)-3,3-dimethyl-2-(1,2,4-triazol-1-ylmethyl)butan-2-ol.
Chemical Property Profile of vibunazole
Property Insights of vibunazole
The XLogP value of 3.2 indicates that vibunazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for vibunazole. Following Lipinski's Rule of Five, vibunazole has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of vibunazole?
The CAS number of vibunazole is 84877-70-3.
What is the molecular formula of vibunazole?
The molecular formula of vibunazole is C15H20ClN3O2.
What is the molecular weight of vibunazole?
The molecular weight of vibunazole is 309.12 g/mol.
Where can I buy vibunazole?
You can request a quote for vibunazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for vibunazole?
Yes, KEHONG BIO provides custom synthesis services for vibunazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.